N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine

C7H8BrF2NS — CID 61011488

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc(Br)s1
InChIInChI=1S/C7H8BrF2NS/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2,7,11H,3-4H2
InChIKeyRJWQYJUHRIOFRY-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.87
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine

N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 61011488) has the molecular formula C7H8BrF2NS and a molecular weight of 256.12 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID61011488
Molecular FormulaC7H8BrF2NS
Molecular Weight256.12 g/mol
Exact Mass254.95
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1ccc(Br)s1
InChIInChI=1S/C7H8BrF2NS/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2,7,11H,3-4H2
InChIKeyRJWQYJUHRIOFRY-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine (CID 61011488) is N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is RJWQYJUHRIOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2NS/c8-6-2-1-5(12-6)3-11-4-7(9)10/h1-2,7,11H,3-4H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 256.12 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 61011488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).